smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCS(=O)(=O)NCCC(=O)N[O-] 393345827 572168143 /nfs/dbraw/zinc/16/81/43/572168143.db2.gz ANVHCUJWQJPZGD-UHFFFAOYSA-N -1 3 196.228 -1.179 10 5 AABEHM N[C@H](C[N+](=O)[O-])C(=O)[O-] 13542426 343036252 /nfs/dbraw/zinc/03/62/52/343036252.db2.gz IFWQINYRALMPEB-UWTATZPHSA-N -1 3 134.091 -1.325 10 5 AABEHM